3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

C20H25BrN2O3S — CID 25162720

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-15(2)17-5-3-16(4-6-17)11-13-22-20(24)12-14-23-27(25,26)19-9-7-18(21)8-10-19/h3-10,15,23H,11-14H2,1-2H3,(H,22,24)
InChIKeyGCEADQHVQGQULE-UHFFFAOYSA-N
MW453.40 g/mol
LogP3.60
Rot. Bonds9

About 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide

3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (PubChem CID 25162720) has the molecular formula C20H25BrN2O3S and a molecular weight of 453.40 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
PubChem CID25162720
Molecular FormulaC20H25BrN2O3S
Molecular Weight453.40 g/mol
Exact Mass452.08
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide
SMILESCC(C)c1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C20H25BrN2O3S/c1-15(2)17-5-3-16(4-6-17)11-13-22-20(24)12-14-23-27(25,26)19-9-7-18(21)8-10-19/h3-10,15,23H,11-14H2,1-2H3,(H,22,24)
InChIKeyGCEADQHVQGQULE-UHFFFAOYSA-N
XLogP3.60
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide (CID 25162720) is 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is CC(C)c1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
The InChIKey is GCEADQHVQGQULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O3S/c1-15(2)17-5-3-16(4-6-17)11-13-22-20(24)12-14-23-27(25,26)19-9-7-18(21)8-10-19/h3-10,15,23H,11-14H2,1-2H3,(H,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide has a molecular weight of 453.40 g/mol, XLogP of 3.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-[2-(4-propan-2-ylphenyl)ethyl]propanamide is sourced from PubChem (CID 25162720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).